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<li><a class="reference internal" href="#">pymatgen.util.testing package</a><ul>
<li><a class="reference internal" href="#pymatgen.util.testing.PymatgenTest"><code class="docutils literal notranslate"><span class="pre">PymatgenTest</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.util.testing.PymatgenTest.TEST_STRUCTURES"><code class="docutils literal notranslate"><span class="pre">PymatgenTest.TEST_STRUCTURES</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.util.testing.PymatgenTest.assert_msonable"><code class="docutils literal notranslate"><span class="pre">PymatgenTest.assert_msonable()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.util.testing.PymatgenTest.assert_str_content_equal"><code class="docutils literal notranslate"><span class="pre">PymatgenTest.assert_str_content_equal()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.util.testing.PymatgenTest.get_structure"><code class="docutils literal notranslate"><span class="pre">PymatgenTest.get_structure()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.util.testing.PymatgenTest.serialize_with_pickle"><code class="docutils literal notranslate"><span class="pre">PymatgenTest.serialize_with_pickle()</span></code></a></li>
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<section id="module-pymatgen.util.testing">
<span id="pymatgen-util-testing-package"></span><h1>pymatgen.util.testing package<a class="headerlink" href="#module-pymatgen.util.testing" title="Link to this heading"></a></h1>
<p>This module implements testing utilities for materials science codes.</p>
<p>While the primary use is within pymatgen, the functionality is meant to
be useful for external materials science codes as well. For instance, obtaining
example crystal structures to perform tests, specialized assert methods for
materials science, etc.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.util.testing.PymatgenTest">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">PymatgenTest</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">methodName</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'runTest'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../util/testing.py#L45-L207"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.testing.PymatgenTest" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">TestCase</span></code></p>
<p>Extends unittest.TestCase with several convenient methods for testing:
- assert_msonable: Test if an object is MSONable and return the serialized object.
- assert_str_content_equal: Test if two string are equal (ignore whitespaces).
- get_structure: Load a Structure with its formula.
- serialize_with_pickle: Test if object(s) can be (de)serialized with <cite>pickle</cite>.</p>
<p>Create an instance of the class that will use the named test
method when executed. Raises a ValueError if the instance does
not have a method with the specified name.</p>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.util.testing.PymatgenTest.TEST_STRUCTURES">
<span class="sig-name descname"><span class="pre">TEST_STRUCTURES</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span><span class="p"><span class="pre">[</span></span><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">PathLike</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="pymatgen.core.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/BaNiO3.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/CsCl.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/Graphite.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/He_BCC.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/K2O2.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/La2CoO4F.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/Li10GeP2S12.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/Li2O.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/Li2O2.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/Li3V2(PO4)3.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/LiFePO4.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/NaFePO4.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/Pb2TiZrO6.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/Si.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/SiO2.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/Si_SiO2_Interface.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/Sn.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/SrTiO3.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/TiO2.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/TlBiSe2.json'):</span> <span class="pre">None,</span> <span class="pre">PosixPath('/Users/shyue/repos/pymatgen/src/pymatgen/util/structures/VO2.json'):</span> <span class="pre">None}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/util/testing.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.testing.PymatgenTest.TEST_STRUCTURES" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.util.testing.PymatgenTest.assert_msonable">
<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">assert_msonable</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">obj</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">test_is_subclass</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">str</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../util/testing.py#L66-L97"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.testing.PymatgenTest.assert_msonable" title="Link to this definition"></a></dt>
<dd><p>Test if an object is MSONable and verify the contract is fulfilled,
and return the serialized object.</p>
<p>By default, the method tests whether obj is an instance of MSONable.
This check can be deactivated by setting <cite>test_is_subclass</cite> to False.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>obj</strong> (<em>Any</em>) – The object to be checked.</p></li>
<li><p><strong>test_is_subclass</strong> (<em>bool</em>) – Check if object is an instance of MSONable
or its subclasses.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Serialized object.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>str</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.util.testing.PymatgenTest.assert_str_content_equal">
<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">assert_str_content_equal</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">actual</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">expected</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../util/testing.py#L99-L118"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.testing.PymatgenTest.assert_str_content_equal" title="Link to this definition"></a></dt>
<dd><p>Test if two strings are equal, ignoring whitespaces.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>actual</strong> (<em>str</em>) – The string to be checked.</p></li>
<li><p><strong>expected</strong> (<em>str</em>) – The reference string.</p></li>
</ul>
</dd>
<dt class="field-even">Raises<span class="colon">:</span></dt>
<dd class="field-even"><p><strong>AssertionError</strong> – When two strings are not equal.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.util.testing.PymatgenTest.get_structure">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">get_structure</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><a class="reference internal" href="pymatgen.core.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../util/testing.py#L120-L138"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.testing.PymatgenTest.get_structure" title="Link to this definition"></a></dt>
<dd><p>Load a structure from <cite>pymatgen.util.structures</cite>.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>name</strong> (<em>str</em>) – Name of the structure file, for example “LiFePO4”.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Structure</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.util.testing.PymatgenTest.serialize_with_pickle">
<span class="sig-name descname"><span class="pre">serialize_with_pickle</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">objects</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">protocols</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Sequence</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">test_eq</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">list</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../util/testing.py#L140-L207"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.testing.PymatgenTest.serialize_with_pickle" title="Link to this definition"></a></dt>
<dd><p>Test whether the object(s) can be serialized and deserialized with
<cite>pickle</cite>. This method tries to serialize the objects with <cite>pickle</cite> and the
protocols specified in input. Then it deserializes the pickled format
and compares the two objects with the <cite>==</cite> operator if <cite>test_eq</cite>.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>objects</strong> (<em>Any</em>) – Object or list of objects.</p></li>
<li><p><strong>protocols</strong> (<em>Sequence</em><em>[</em><em>int</em><em>]</em>) – List of pickle protocols to test.
If protocols is None, HIGHEST_PROTOCOL is tested.</p></li>
<li><p><strong>test_eq</strong> (<em>bool</em>) – If True, the deserialized object is compared
with the original object using the <cite>__eq__</cite> method.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Objects deserialized with the specified protocols.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>list[Any]</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
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